JS-K
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- JS-K
- DrugBank Accession Number
- DB17257
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 384.305
Monoisotopic: 384.102961499 - Chemical Formula
- C13H16N6O8
- Synonyms
- 1-piperazinecarboxylic acid, 4-((2,4-dinitrophenoxy)-nno-azoxy)-, ethyl ester
- 1-piperazinecarboxylic acid, 4-(2-(2,4-dinitrophenoxy)-1-oxidodiazenyl)-, ethyl ester
- O2-(2,4-dinitrophenyl) 1-((4-ethoxycarbonyl)piperazin-1-yl)diazen-1-ium-1,2-diolate
- O2-(2,4-dinitrophenyl) 1-((4-ethoxycarbonyl)piperazin-1yl)diazen-1-ium-1,2-diolate
- External IDs
- JS-K
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 80P1Q21652
- CAS number
- 205432-12-8
- InChI Key
- DNJRNBYZLPKSHV-RGEXLXHISA-N
- InChI
- InChI=1S/C13H16N6O8/c1-2-26-13(20)15-5-7-16(8-6-15)19(25)14-27-12-4-3-10(17(21)22)9-11(12)18(23)24/h3-4,9H,2,5-8H2,1H3/b19-14-
- IUPAC Name
- (1Z)-2-(2,4-dinitrophenoxy)-1-[4-(ethoxycarbonyl)piperazin-1-yl]diazen-1-ium-1-olate
- SMILES
- CCOC(=O)N1CCN(CC1)[N+](\[O-])=N\OC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 7847182
- ChEMBL
- CHEMBL455983
- ZINC
- ZINC000003992364
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0717 mg/mL ALOGPS logP 1.93 ALOGPS logP -1.4 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 2.86 Chemaxon pKa (Strongest Basic) -8.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 166.72 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 90.23 m3·mol-1 Chemaxon Polarizability 35 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 30, 2022 19:17 / Updated at December 01, 2022 11:36